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Journal of Chemical Information and Modeling
2005, volume: 45, number: 6

  1. Dusanka Janezic
    The Regional Biophysics Meeting March 16-20, 2005, Zrece, Slovenia. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1481- [Journal]
  2. Volkmar Heinrich, Andrew Leung, Evan Evans
    Nano-to-Microscale Mechanical Switches and Fuses Mediate Adhesive Contacts between Leukocytes and the Endothelium. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1482-1490 [Journal]
  3. Vlado Malacic, Patricija Mozetic
    Modeling of the Spread of an Effluent and the Overturning Length Scale near an Underwater Source in the Northern Adriatic. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1491-1501 [Journal]
  4. Joachim Scholz-Starke, Alessia Naso, Armando Carpaneto
    A Perspective on the Slow Vacuolar Channel in Vacuoles from Higher Plant Cells. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1502-1506 [Journal]
  5. Federico Marini, Alessandra Roncaglioni, Marjana Novic
    Variable Selection and Interpretation in Structure-Affinity Correlation Modeling of Estrogen Receptor Binders. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1507-1519 [Journal]
  6. Katalin Tenger, Petro Khoroshyy, Balázs Leitgeb, Gábor Rákhely, Natalia Borovok, Alexander Kotlyar, Dmitry A. Dolgikh, László Zimányi
    Complex Kinetics of the Electron Transfer between the Photoactive Redox Label TUPS and the Heme of Cytochrome c. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1520-1526 [Journal]
  7. Klavdija Kutnar, Aleksander Malnic, Dragan Marusic
    Chirality of Toroidal Molecular Graphs. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1527-1535 [Journal]
  8. Pavle R. Andjus, Aleksandar Bajic, Lan Zhu, Piergiorgio Strata
    Metabotropic Glutamate Receptor-Mediated Currents at the Climbing Fiber to Purkinje Cell Synapse. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1536-1538 [Journal]
  9. Mauro Dalla Serra, Manuela Coraiola, Gabriella Viero, Massimiliano Comai, Cristina Potrich, Mercedes Ferreras, Lamine Baba-Moussa, Didier A. Colin, Gianfranco Menestrina, Sucharit Bhakdi, Gilles Prévost
    Staphylococcus aureus Bicomponent gamma-Hemolysins, HlgA, HlgB, and HlgC, Can Form Mixed Pores Containing All Components. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1539-1545 [Journal]
  10. Urban Bren, Milan Hodoscek, Joze Koller
    Development and Validation of Empirical Force Field Parameters for Netropsin. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1546-1552 [Journal]
  11. Magdy Lucic Lavcevic, Pavo Dubcek, Zorica Crnjak Orel, Aleksandra Turkovic
    GISAXS View of Vanadium/Cerium Oxide Thin Films and Influence of Lithium Intercalation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1553-1557 [Journal]
  12. Marjan Sterk, Roman Trobec
    Biomedical Simulation of Heat Transfer in a Human Heart. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1558-1563 [Journal]
  13. Philippe Huetz, Nasim Mavaddat, Janez Mavri
    Reaction between Ellagic Acid and an Ultimate Carcinogen. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1564-1570 [Journal]
  14. Matej Praprotnik, Dusanka Janezic
    Molecular Dynamics Integration Meets Standard Theory of Molecular Vibrations. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1571-1579 [Journal]
  15. Marilena Di Valentin, Arianna Bisol, Giancarlo Agostini, Donatella Carbonera
    Electronic Coupling Effects on Photoinduced Electron Transfer in Carotene-Porphyrin-Fullerene Triads Detected by Time-Resolved EPR. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1580-1588 [Journal]
  16. David Halozan, Christophe Déjugnat, Milan Brumen, Gleb B. Sukhorukov
    Entrapment of a Weak Polyanion and H+/Na+ Exchange in Confined Polyelectrolyte Microcapsules. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1589-1592 [Journal]
  17. Franci Merzel, Jeremy C. Smith
    High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition of Solution Scattering Data. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1593-1599 [Journal]
  18. Urban Borstnik, Dusanka Janezic
    Symplectic Molecular Dynamics Simulations on Specially Designed Parallel Computers. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1600-1604 [Journal]
  19. Ales Fajmut, Marko Jagodic, Milan Brumen
    Mathematical Modeling of the Myosin Light Chain Kinase Activation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1605-1609 [Journal]
  20. Ales Fajmut, Andrej Dobovisek, Milan Brumen
    Mathematical Modeling of the Relation between Myosin Phosphorylation and Stress Development in Smooth Muscles. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1610-1615 [Journal]
  21. Dubravka Krilov, Janko N. Herak
    Probabilistic Kinetic Model of Slow Oxidation of Low-Density Lipoprotein. 3. Hydroperoxide-Free Initiation. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1616-1620 [Journal]
  22. David Stopar, Janez Strancar, Ruud B. Spruijt, Marcus A. Hemminga
    Exploring the Local Conformational Space of a Membrane Protein by Site-Directed Spin Labeling. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1621-1627 [Journal]
  23. Aleh A. Kavalenka, Bogdan Filipic, Marcus A. Hemminga, Janez Strancar
    Speeding Up a Genetic Algorithm for EPR-Based Spin Label Characterization of Biosystem Complexity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1628-1635 [Journal]
  24. Marija Raguz, Jasminka Brnjas-Kraljevic
    Resolved Fluorescence Emission Spectra of PRODAN in Ethanol/Buffer Solvents. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1636-1640 [Journal]
  25. Árpád Karsai, Attila Nagy, András Kengyel, Zsolt Mártonfalvi, László Grama, Botondtól Penke, Miklós S. Z. Kellermayer
    Effect of Lysine-28 Side-Chain Acetylation on the Nanomechanical Behavior of Alzheimer Amyloid beta25-35 Fibrils. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1641-1646 [Journal]
  26. Igor Weber
    Receptor Occupancy on an Ellipsoidal Cell in the Presence of a Point Source of a Chemoattractant. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1647-1651 [Journal]
  27. Miha Fosnaric, Klemen Bohinc, Dorit R. Gauger, Ales Iglic, Veronika Kralj-Iglic, Sylvio May
    The Influence of Anisotropic Membrane Inclusions on Curvature Elastic Properties of Lipid Membranes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1652-1661 [Journal]
  28. Zoran Arsov, Janez Strancar
    Determination of Partition Coefficient of Spin Probe between Different Lipid Membrane Phases. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1662-1671 [Journal]
  29. Andrej Vilfan
    Influence of Fluctuations in Actin Structure on Myosin V Step Size. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1672-1675 [Journal]
  30. Nejc Tomsiè, Blaz Babnik, Darko Lombardo, Blaz Mavcic, Masa Kanduser, Ales Iglic, Veronika Kralj-Iglic
    Shape and Size of Giant Unilamellar Phospholipid Vesicles Containing Cardiolipin. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1676-1679 [Journal]
  31. Ivan Spasojevic, Vuk Maksimovic, Joanna Zakrzewska, Goran Bacic
    Effects of 5-Fluorouracil on Erythrocytes in Relation to Its Cardiotoxicity: Membrane Structure and Functioning. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1680-1685 [Journal]
  32. Igor Sersa, Gregor Tratar, Ales Blinc
    Blood Clot Dissolution Dynamics Simulation during Thrombolytic Therapy. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1686-1690 [Journal]
  33. Anna Segalla, Ildikó Szabó, Paola Costantini, Giorgio Mario Giacometti
    Study of the Effect of Ion Channel Modulators on Photosynthetic Oxygen Evolution. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1691-1700 [Journal]
  34. Tilen Koklic, Mateja Pirs, Reiner Zeisig, Zrinka Abramovic, Marjeta Sentjurc
    Membrane Switch Hypothesis. 1. Cell Density Influences Lateral Domain Structure of Tumor Cell Membranes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1701-1707 [Journal]
  35. Petra Kramaric, Zlatko Pavlica, Tilen Koklic, Alenka Nemec, Nevenka Kozuh Erzen, Marjeta Sentjurc
    Membrane Switch Hypothesis. 2. Domain Structure of Phagocytes in Horses with Recurrent Airway Obstruction. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1708-1715 [Journal]
  36. Milos Mojovic, Ivan Spasojevic, Goran Bacic
    Detection of Hydrogen Atom Adduct of Spin-Trap DEPMPO. The Relevance for Studies of Biological Systems. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1716-1718 [Journal]
  37. Erwin Lijnen, Arnout Ceulemans
    Topology-Aided Molecular Design: The Platonic Molecules of Genera 0 to 3. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1719-1726 [Journal]
  38. Stephanie E. Harris, A. Guy Orpen, Ian J. Bruno, Robin Taylor
    Factors Affecting d-Block Metal-Ligand Bond Lengths: Toward an Automated Library of Molecular Geometry for Metal Complexes. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1727-1748 [Journal]
  39. Yun-De Xiao, Aaron Clauset, Rebecca Harris, Ersin Bayram, Peter Santago II, Jeffrey D. Schmitt
    Supervised Self-Organizing Maps in Drug Discovery. 1. Robust Behavior with Overdetermined Data Sets. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1749-1758 [Journal]
  40. Alba T. Macias, Md. Younus Mia, Guanjun Xia, Jun Hayashi, Alexander D. MacKerell Jr.
    Lead Validation and SAR Development via Chemical Similarity Searching; Application to Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1759-1766 [Journal]
  41. Paolo Mazzatorta, Martin Smiesko, Elena Lo Piparo, Emilio Benfenati
    QSAR Model for Predicting Pesticide Aquatic Toxicity. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1767-1774 [Journal]
  42. Qing-You Zhang, João Aires-de-Sousa
    Structure-Based Classification of Chemical Reactions without Assignment of Reaction Centers. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1775-1783 [Journal]
  43. S. Frank Yan, Hayk Asatryan, Jing Li 0002, Yingyao Zhou
    Novel Statistical Approach for Primary High-Throughput Screening Hit Selection. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1784-1790 [Journal]
  44. Ralph A. Mansson, Jeremy G. Frey, Jonathan W. Essex, Alan H. Welsh
    Prediction of Properties from Simulations: A Re-examination with Modern Statistical Methods. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1791-1803 [Journal]
  45. Lei Yang, Peng Wang, Yilin Jiang, Jian Chen
    Studying the Explanatory Capacity of Artificial Neural Networks for Understanding Environmental Chemical Quantitative Structure-Activity Relationship Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1804-1811 [Journal]
  46. Jeffrey W. Godden, Florence L. Stahura, Jürgen Bajorath
    Anatomy of Fingerprint Search Calculations on Structurally Diverse Sets of Active Compounds. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1812-1819 [Journal]
  47. Yongliang Yang, Dmitri V. Nesterenko, Ryan P. Trump, Ken Yamaguchi, Paul A. Bartlett, Dale G. Drueckhammer
    Virtual Hydrocarbon and Combinatorial Databases for Use with CAVEAT. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1820-1823 [Journal]
  48. Justin Klekota, Erik Brauner, Stuart L. Schreiber
    Identifying Biologically Active Compound Classes Using Phenotypic Screening Data and Sampling Statistics. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1824-1836 [Journal]
  49. Tadeusz Marek Krygowski, Joanna E. Zachara, Robert Moszynski
    Theoretical Study of Changes in pi-Electron Delocalization in the Analogues of an ortho-Hydroxy Schiff Base When the Proton Is Replaced with Li+ or BeH+. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1837-1841 [Journal]
  50. Artem Cherkasov, Zheng Shi, Yvonne Y. Li, Steven J. M. Jones, Magid Fallahi, Geoffrey L. Hammond
    'Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1842-1853 [Journal]
  51. Kaushal Rege, Asif Ladiwala, Shanghui Hu, Curt M. Breneman, Jonathan S. Dordick, Steven M. Cramer
    Investigation of DNA-Binding Properties of an Aminoglycoside-Polyamine Library Using Quantitative Structure-Activity Relationship (QSAR) Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1854-1863 [Journal]
  52. Pierre Crettaz, Romualdo Benigni
    Prediction of the Rodent Carcinogenicity of 60 Pesticides by the DEREKfW Expert System. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1864-1873 [Journal]
  53. Samuli-Petrus Korhonen, Kari Tuppurainen, Reino Laatikainen, Mikael Peräkylä
    Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1874-1883 [Journal]
  54. Michael Fernández, Alain Tundidor-Camba, Julio Caballero
    Modeling of Cyclin-Dependent Kinase Inhibition by 1H-Pyrazolo[3, 4-d]Pyrimidine Derivatives Using Artificial Neural Network Ensembles. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1884-1895 [Journal]
  55. Nahoum G. Anthony, Guillaume Huchet, Blair F. Johnston, John A. Parkinson, Colin J. Suckling, Roger D. Waigh, Simon P. Mackay
    In Silico Footprinting of Ligands Binding to the Minor Groove of DNA. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1896-1907 [Journal]
  56. Andrew J. S. Knox, Mary J. Meegan, Giorgio Carta, David G. Lloyd
    Considerations in Compound Database Preparation-"Hidden" Impact on Virtual Screening Results. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1908-1919 [Journal]
  57. Jianfeng Pei, Hao Chen, Zhenming Liu, Xiaofeng Han, Qi Wang, Bin Shen, Jiaju Zhou, Luhua Lai
    Improving the Quality of 3D-QSAR by Using Flexible-Ligand Receptor Models. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1920-1933 [Journal]
  58. Madhu Chopra, Anil K. Mishra
    Ligand-Based Molecular Modeling Study on a Chemically Diverse Series of Cholecystokinin-B/Gastrin Receptor Antagonists: Generation of Predictive Model. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1934-1942 [Journal]
  59. Konstantin B. Tarmyshov, Florian Müller-Plathe
    Parallelizing a Molecular Dynamics Algorithm on a Multiprocessor Workstation Using OpenMP. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1943-1952 [Journal]
  60. Mikko J. Vainio, Mark S. Johnson
    McQSAR: A Multiconformational Quantitative Structure-Activity Relationship Engine Driven by Genetic Algorithms. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2005, v:45, n:6, pp:1953-1961 [Journal]
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